Charge: 1
Inchi:1S/C10H9/c1-2-5-9-7-4-8-10(9)6-3-1/h1-3,5-8H,4H2/q+1
Electronic States
Energy
(eV)
-385.87618
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.09453 b
(cm-1)
0.04092 c
(cm-1)
0.02856
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.38427
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.98600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07178
0.00000
0.00000
2
-0.03697
0.00000
0.00000
3
-0.03697
0.00000
0.00000
4
-0.01528
0.00000
0.00000
5
-0.01528
0.00000
0.00000
6
0.03141
0.00000
0.00000
7
0.03141
0.00000
0.00000
8
-0.01499
0.00000
0.00000
9
-0.01499
0.00000
0.00000
10
0.05605
0.00000
0.00000
11
0.71939
0.00000
0.00000
12
0.26787
0.00000
0.00000
13
0.26787
0.00000
0.00000
14
0.17291
0.00000
0.00000
15
0.17291
0.00000
0.00000
16
-0.20003
0.00000
0.00000
17
-0.20003
0.00000
0.00000
18
-0.16024
0.00000
0.00000